6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline

C16H24N2O2 — CID 71422083

IUPAC6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C1CCCNC1)NCC2
InChIInChI=1S/C16H24N2O2/c1-19-14-8-11-5-7-18-16(12-4-3-6-17-10-12)13(11)9-15(14)20-2/h8-9,12,16-18H,3-7,10H2,1-2H3
InChIKeyQEOIIGUERMBUGK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds3

About 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 71422083) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID71422083
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C1CCCNC1)NCC2
InChIInChI=1S/C16H24N2O2/c1-19-14-8-11-5-7-18-16(12-4-3-6-17-10-12)13(11)9-15(14)20-2/h8-9,12,16-18H,3-7,10H2,1-2H3
InChIKeyQEOIIGUERMBUGK-UHFFFAOYSA-N
XLogP1.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112511947
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 133108295
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(1S)-1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 42056014
1-cyclopropyl-7,8-dimethoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688200
6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970448
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225
3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
2-[[4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexyl]methyl]isoindole-1,3-dione
CID 19610217
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline (CID 71422083) is 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(C1CCCNC1)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QEOIIGUERMBUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-14-8-11-5-7-18-16(12-4-3-6-17-10-12)13(11)9-15(14)20-2/h8-9,12,16-18H,3-7,10H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 276.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 71422083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).